BioLiP

PDB

BioLiP

PDB CCD ID:

3CG

Number of entries in BioLiP:

Chemical formula:

C9 H9 O5 Sb

InChI:

InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6-;;;;

InChIKey:

ZTQRMGDLUGQTTF-VSJPESBJSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O
CACTVS 3.385	OC(=O)C=Cc1cccc(c1)[Sb](O)(O)=O
CACTVS 3.385	OC(=O)\C=C/c1cccc(c1)[Sb](O)(O)=O
ACDLabs 12.01	O=C(O)\C=C/c1cc(ccc1)[Sb](=O)(O)O

Name:

(2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).